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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -107.0103455 | -107.4170307 | 0.4066852 | 0.0000000 | 107.4170307 | ||||||
| cm-1 | 170.4 | 481.0 | -310.6 | ||||||||
| eV | -2911.900 | 0.021 | -2911.878 | -2922.966 | 0.060 | -2922.906 | 11.066 | -0.039 | 11.028 | 0.000 | 2922.966 |